SCHEMBL10417439

SCHEMBL10417439

COc1cc(OC)c(CNC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ MDM2 Q00987 6/20 0.51
▸ MDM4 O15151 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ PTPN1 P18031 1/20 0.44
▸ CASP3 P42574 1/20 0.42
▸ SLC17A5 Q9NRA2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30863678 1.00 TLR2 (0.55) TLR2MDM2MDM4TP53PTPN1
SCHEMBL10418082 0.91 MDM2 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL30863677 0.91 MDM2 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL24709082 0.85 MDM2 (0.53) TLR2MDM2MDM4TP53CASP3
SCHEMBL26195497 0.85 MDM2 (0.53) TLR2MDM2MDM4TP53CASP3
SCHEMBL10417447 0.83 PTPN1 (0.54) PTPN1
SCHEMBL31370449 0.83 TLR2 (0.60) TLR2MDM2MDM4TP53CASP3
SCHEMBL119437 0.83 TLR2 (0.60) TLR2MDM2MDM4TP53CASP3
SCHEMBL12917713 0.83 TLR2 (0.67) TLR2MDM2MDM4TP53CASP3
SCHEMBL120504 0.81 TLR2 (0.55) TLR2MDM2MDM4TP53PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 — — US disclosed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 — — EP disclosed
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